- InChI
- InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
- InChI Key
- VIIIJFZJKFXOGG-UHFFFAOYSA-N
- Formula
- C10H8O2
- SMILES
- Cc1cc2ccccc2oc1=O
- Molecular Weight1
- 160.17
- CAS
- 2445-82-1
- Other Names
-
- Coumarin, 3-methyl-
- 3-Methylcoumarin
- 3-Methylcumarin
- 3-Methyl-2H-1-benzopyran-2-one
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 2.101 | Crippen Calculated Property | |
| McVol | 120.280 | ml/mol | McGowan Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| I | [2424.00; 2424.00] |
|
|
| I | 2424.00 | NIST | |
| I | 2424.00 | NIST | |
| I | 2424.00 | NIST | |
| Tboil | 565.70 | K | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 3-methyl-.
Sources
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